Chapters authored
Physical Properties of Yttrium-Rhodium and Yttrium-Copper B2-Type Rare Earth Intermetallic Compounds: First Principles Study
The electronic structure of B2-YCu and YRh intermetallic compounds which crystallize in the CsCl structure has attracted the attention of the scientific world because of their excellent mechanical properties. The advantage of studying these materials is to answer of some industrial request in the materials that resist for high temperature and high oxidation resistance. However, high ductility has been observed in these compounds at room temperature. In this present work, we employed ab initio calculation methods while basing on the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory implanted in the Wien-2 k code, which is used to examine the various properties of these materials (YCu, YRh) like structural, electronic, and elastic properties. The results obtained are in good agreement with those found in other theoretical studies and experimental data.
Part of the book: Intermetallic Compounds
Modeling Study of Impact Effect of Chemical Reactions on Nitrogen Oxide Conversion in N2/O2 Mixtures under Various O2 Concentrations
The main objective of this study is to understand the influence of various chemical reactions that participate on NO creation or reduction in N2/O2 mixed gas induced by negative corona discharge under different O2 concentrations (5%, 10%, 15%, 20% and 25%). The basic chemistry of NO evolution that is presented in this study is based on a comprehensive collection of processes that were gathered into 150 specific chemical reactions involving 25 molecular, excited, atomic, and charged entities. Without the diffusion and convective factors, the density was computed using the continuity equation over a range of electric reduction fields between 50 and 90 Td (1Td = 10−21 V.m2), at different points in the ranges 10−9–10−4 s. The outcomes of our numerical simulations demonstrate the impact of various chemical processes on NO production and decrease, including: N(2D) + O2 → NO + O and: NO + O + N2 → NO2 + N2 respectively. Our research has shown that at 50 and 70 Td, nitrogen oxide generation is dominated by an O2 concentration of 5%, whereas at 90 Td, it is dominated by an O2 concentration of 10%. These outcomes are true for both reactions.
Part of the book: Advancements in Fine Particle Plasmas
Single Ionization of Methane Molecule by Directive Proton Impact: High Energies Domain
The aim of this work is to give a simple and precise theoretical formalism to study the single ionization of small molecular targets by swift proton impact. The mathematical formalism given here for the sake to calculate the differential cross sections is based on the first-Born approximation using the Coulomb wave function. The incident and scattered continuum states of the proton are described by plane wave functions, and the ejected electron is described by a Coulomb wave function. The formalism under consideration is applied to study the single ionization of methane molecule. The comparison between our results and the experimental data showed good agreement.
Part of the book: Proton Therapy [Working title]